| SpectraBase Compound ID | EWB480Ve8Tv |
|---|---|
| InChI | InChI=1S/C17H8F14O6/c18-12(19,14(22,23)16(26,27)28)10(34)36-7-3-1-6(2-4-9(32)33)5-8(7)37-11(35)13(20,21)15(24,25)17(29,30)31/h1,3,5H,2,4H2,(H,32,33) |
| InChIKey | SZOVHGALZNORTM-UHFFFAOYSA-N |
| Mol Weight | 574.22 g/mol |
| Molecular Formula | C17H8F14O6 |
| Exact Mass | 574.009732 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KuuVsnUNJah |
|---|---|
| Name | 3,4-di(Heptafluorobutyryloxy)hydrocinnamic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 574.009732254 u |
| Formula | C17H8F14O6 |
| InChI | InChI=1S/C17H8F14O6/c18-12(19,14(22,23)16(26,27)28)10(34)36-7-3-1-6(2-4-9(32)33)5-8(7)37-11(35)13(20,21)15(24,25)17(29,30)31/h1,3,5H,2,4H2,(H,32,33) |
| InChIKey | SZOVHGALZNORTM-UHFFFAOYSA-N |
| Molecular Weight | 574.223 g/mol |
| SMILES | C1(=C(C=CC(=C1)CCC(=O)O)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |